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ethanone, 1-[1,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID LYdS7jAPC6A
InChI InChI=1S/C22H16Cl3N3O/c1-14(29)21-26-28(20-12-8-18(25)9-13-20)22(15-2-4-16(23)5-3-15)27(21)19-10-6-17(24)7-11-19/h2-13,22H,1H3
InChIKey DFTWORVGCQVMNX-UHFFFAOYSA-N
Mol Weight 444.75 g/mol
Molecular Formula C22H16Cl3N3O
Exact Mass 443.035895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8lP5XSehdJ1
Name ethanone, 1-[1,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H16Cl3N3O/c1-14(29)21-26-28(20-12-8-18(25)9-13-20)22(15-2-4-16(23)5-3-15)27(21)19-10-6-17(24)7-11-19/h2-13,22H,1H3
InChIKey DFTWORVGCQVMNX-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1799
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9223710; Labnumber: LP-3900139
Temperature 303 °C